Information card for entry 1555736

Structure parameters

• Formula: C51 H18 F51 I3 N6 O3
• Calculated formula: C51 H18 F51 I3 N6 O3
• Title of publication: Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines.
• Authors of publication: Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4638 - 4641
• a: 11.539 ± 0.0013 Å
• b: 16.419 ± 0.002 Å
• c: 18.984 ± 0.002 Å
• α: 77.096 ± 0.002°
• β: 85.285 ± 0.002°
• γ: 73.926 ± 0.002°
• Cell volume: 3368 ± 0.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No